CID 4952422

4-(propan-2-yloxy)benzamide

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKey
CFBLSYXKTPNMCD-UHFFFAOYSA-N
Compound name
4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

167
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.7
[M+Na]+ 202.08386 145.4
[M-H]- 178.08736 142.0
[M+NH4]+ 197.12846 158.2
[M+K]+ 218.05780 144.3
[M+H-H2O]+ 162.09190 132.7
[M+HCOO]- 224.09284 162.0
[M+CH3COO]- 238.10849 184.5
[M+Na-2H]- 200.06931 142.3
[M]+ 179.09409 138.5
[M]- 179.09519 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.